| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 10th, 2011 | 33 | No |
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -2.54 | -0.03 | -112.95 | 6 | 11 | -1 | 206 | 457.415 | 2 | ↓ |
| Hi High (pH 8-9.5) | -3.27 | -1.62 | -263.83 | 4 | 11 | -3 | 207 | 455.399 | 1 | ↓ |
| Hi High (pH 8-9.5) | -3.27 | -2.17 | -155.29 | 5 | 11 | -2 | 204 | 456.407 | 1 | ↓ |
| Hi High (pH 8-9.5) | -2.54 | -1.13 | -226.78 | 4 | 11 | -3 | 207 | 455.399 | 2 | ↓ |
| Mid Mid (pH 6-8) | -3.27 | -1.18 | -88.21 | 7 | 11 | 0 | 203 | 458.423 | 1 | ↓ |
| Mid Mid (pH 6-8) | -2.54 | 0.96 | -176.99 | 5 | 11 | -2 | 208 | 456.407 | 2 | ↓ |
| Mid Mid (pH 6-8) | -2.54 | -2.12 | -147.46 | 5 | 11 | -2 | 204 | 456.407 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
